N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

C23H19N7O — CID 15990278

IUPACN-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C23H19N7O/c31-23(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-21-22-27-28-29-30(22)20-9-5-4-8-19(20)26-21/h1-13H,14-15H2,(H,24,31)(H,25,26)
InChIKeyRUKBDNQZONTGCJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.39
Rot. Bonds6

About N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (PubChem CID 15990278) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
PubChem CID15990278
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC NameN-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1
InChIInChI=1S/C23H19N7O/c31-23(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-21-22-27-28-29-30(22)20-9-5-4-8-19(20)26-21/h1-13H,14-15H2,(H,24,31)(H,25,26)
InChIKeyRUKBDNQZONTGCJ-UHFFFAOYSA-N
XLogP3.39
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide (CID 15990278) is N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is O=C(NCCc1ccccc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
The InChIKey is RUKBDNQZONTGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c31-23(24-15-14-16-6-2-1-3-7-16)17-10-12-18(13-11-17)25-21-22-27-28-29-30(22)20-9-5-4-8-19(20)26-21/h1-13H,14-15H2,(H,24,31)(H,25,26).
What are the key properties of N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide?
N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide has a molecular weight of 409.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide is sourced from PubChem (CID 15990278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).